1-tert-butylpiperazine dihydrochloride

• ChemBase ID: 89264
• Molecular Formular: C8H20Cl2N2
• Molecular Mass: 215.1638
• Monoisotopic Mass: 214.10035401
• SMILES: N1(C(C)(C)C)CCNCC1.Cl.Cl
• Canonical SMILES: CC(N1CCNCC1)(C)C.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-8(2,3)10-6-4-9-5-7-10;;/h9H,4-7H2,1-3H3;2*1H
• InChIKey: IZXIHCNVEXNZKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butylpiperazine dihydrochloride
• IUPAC Traditional name: 1-tert-butylpiperazine dihydrochloride
• Synonyms: 1-tert-Butylpiperazine dihydrochloride

Database IDs

• PubChem SID: 162104693
• PubChem CID: 21274491

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7121587
• LogD (pH = 7.4): -1.8299516
• Log P: 0.70820075
• Molar Refractivity: 44.5491 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant